2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone

C7H6Cl2OS — CID 102762735

IUPAC2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone
SMILESCc1cc(C(=O)CCl)sc1Cl
InChIInChI=1S/C7H6Cl2OS/c1-4-2-6(5(10)3-8)11-7(4)9/h2H,3H2,1H3
InChIKeyISDUFGOOIJQTFM-UHFFFAOYSA-N
MW209.10 g/mol
LogP3.13
Rot. Bonds2

About 2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone

2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone (PubChem CID 102762735) has the molecular formula C7H6Cl2OS and a molecular weight of 209.10 g/mol. Its IUPAC name is 2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone
PubChem CID102762735
Molecular FormulaC7H6Cl2OS
Molecular Weight209.10 g/mol
Exact Mass207.95
IUPAC Name2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone
SMILESCc1cc(C(=O)CCl)sc1Cl
InChIInChI=1S/C7H6Cl2OS/c1-4-2-6(5(10)3-8)11-7(4)9/h2H,3H2,1H3
InChIKeyISDUFGOOIJQTFM-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone
CID 102762888
4-(5-chloro-4-methylthiophen-2-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 102763256
1-(5-chloro-4-methylthiophen-2-yl)-3,5,5-trimethylhexan-1-one
CID 102762930
1-(5-chloro-4-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206875
ethyl 2-(5-chloro-4-methylthiophen-2-yl)-2-oxoacetate
CID 102764348
(5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
CID 102762940
(5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102765197
(5-chloro-4-methylthiophen-2-yl)-(2-methylcyclopropyl)methanone
CID 102763100
1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one
CID 102762845
(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762901
3-bicyclo[3.1.0]hexanyl-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762899
(5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
CID 102762834

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone (CID 102762735) is 2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone is Cc1cc(C(=O)CCl)sc1Cl.
What is the InChIKey of 2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone?
The InChIKey is ISDUFGOOIJQTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2OS/c1-4-2-6(5(10)3-8)11-7(4)9/h2H,3H2,1H3.
What are the key properties of 2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone?
2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone has a molecular weight of 209.10 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 102762735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).